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Reversible topotactic transitions between oxygen-vacancy-ordered structures in transition metal oxides provide a promising strategy for active manipulation of material properties. While transformations between various oxygen-deficient…

材料科学 · 物理学 2020-05-06 Sampo Inkinen , Lide Yao , Sebastiaan van Dijken

The soft modes associated with continuous-order phase transitions are associated with strong anharmonicity. This leads to the overdamped limit where the phonon quasi-particle picture can breakdown. However, this limit is commonly restricted…

Strong piezoelectricity in the perovskite-type PbZr(1-x)TixO3 (PZT) and Pb(Zn1/3Nb2/3)O3-PbTiO3 (PZN-PT) systems is generally associated with the existence of a morphotropic phase boundary (MPB) separating regions with rhombohedral and…

材料科学 · 物理学 2009-11-07 D. E. Cox , B. Noheda , G. Shirane , Y. Uesu , K. Fujishiro , Y. Yamada

The structural phase transformation in the La2/3Ba1/3MnO3 perovskite manganite was studied by ultrasound, neutron diffraction and electron microscopy techniques. Minima of the velocity and maxima of the decrement of the ultrasound point out…

We have recently predicted and subsequently verified experimentally by specific heat measurements that EuTiO3 undergoes a structural phase transition at elevated temperature TS = 282 K. The origin of the phase transition has been attributed…

材料科学 · 物理学 2012-05-25 J. Köhler , R. Dinnebier , A. Bussmann-Holder

The dynamic structures of the cubic and tetragonal phase in BaTiO3 and its dielectric response above the cubic-to-tetragonal phase transition temperature (Tp) are studied by first-principles molecular dynamics (MD) simulation. It's shown…

材料科学 · 物理学 2015-05-20 L. Xie , Y. L. Li , R. Yu , J. Zhu

We compute the critical exponents of three-dimensional magnets with strong dipole-dipole interactions using the functional renormalization group (FRG) within the local potential approximation including the wave function renormalization…

统计力学 · 物理学 2026-05-15 Georgii Kalagov , Nikita Lebedev

We investigate the oxygen octahedral rotations that occur in two perovskites, SrTiO3 and PbTiO3, as a function of applied three-dimensional electric displacement field, allowing us to map out the phase diagram of rotations in both the…

材料科学 · 物理学 2013-02-18 Jiawang Hong , David Vanderbilt

Hybrid improper ferroelectrics (HIFs) have been intensely studied over the last few years to gain understanding of their temperature induced phase transitions and ferroelectric switching pathways. Here we report a switching from first- to…

The phase purity and the lattice dynamics in bulk EuTiO3 were investigated both microscopically, using X-ray and neutron diffraction, 151-Eu-M\"ossbauer spectroscopy, and 151-Eu nuclear inelastic scattering, and macroscopically using…

In the present investigation, some novel magnetic behaviors exhibited by double perovskite (DP) Eu2CoMnO6(ECMO) has been reported. XRD analysis of ECMO showed that it has a monoclinic crystal structure (space group P 21/n). A second-order…

材料科学 · 物理学 2019-09-30 Mohd Alam , Arkadeb Pal , Khyati Anand , Prajyoti Singh , Sandip Chatterjee

We investigate a class of relativistic fermion theories in 2<d<4 space-time dimensions with continuous chiral U(Nf)xU(Nf) symmetry. This includes a number of well-studied models, e.g., of Gross-Neveu and Thirring type, in a unified…

高能物理 - 理论 · 物理学 2015-11-02 Friedrich Gehring , Holger Gies , Lukas Janssen

In two-dimensional (2D) limit, the quantum fluctuation is significantly enhanced which could induce a quantum phase transition. Investigating the quantum criticality is an effective approach to elucidate the underlying physics of 2D…

超导电性 · 物理学 2025-11-21 Jia Liu , Long Cheng , Mingyue Zhang , Junkun Zha , Fei Ye , Xiaofang Zhai

We study loop percolation models in two and in three space dimensions, in which configurations of occupied bonds are forced to form closed loop. We show that the uncorrelated occupation of elementary plaquettes of the square and the simple…

无序系统与神经网络 · 物理学 2009-11-07 Frank O. Pfeiffer , Heiko Rieger

We have performed detailed first-principles calculations to determine the eigenvectors of the zone-center modes of hexagonal BaTiO3 and shown that the experimentally relevant low-energy modes (including the non-polar instability) can be…

材料科学 · 物理学 2009-10-31 Jorge Iniguez , Alberto Garcia , J. M. Perez-Mato

Double perovskites Cs$_2$Au$_2$X$_6$ (X=Cl, Br, I) are prototypical materials that exhibit charge disproportionation of gold into 1+ and 3+ states. It is known that the disproportionation is resolved under high pressures, and this has…

材料科学 · 物理学 2024-05-16 Kazuki Morita , Andrew M. Rappe

Antiperovskites share the same structure as perovskites, but allow completely different chemistries and nominal charge states of anions to be stabilized. This gives rise to many interesting phenomena, including septet superconductivity and…

材料科学 · 物理学 2026-02-09 He Zhu , Turan Birol

Using the full-potential linearized-augmented-plane-wave (FLAPW) method, we have analyzed systematically the trends in the structural and electronic properties of the 3d and 4d transition-metal oxides SrMO_3 (M = Ti, V, Zr and Nb). The…

材料科学 · 物理学 2016-08-31 I. R. Shein , V. L. Kozhevnikov , A. L. Ivanovskii

We use a novel real-time formulation of the functional renormalization group (FRG) for dynamical systems with reversible mode couplings to study Model H, the conjectured dynamic universality class of the QCD critical point. We emphasize the…

高能物理 - 唯象学 · 物理学 2025-02-27 Johannes V. Roth , Yunxin Ye , Sören Schlichting , Lorenz von Smekal

Percolation on a one-dimensional lattice and fractals such as the Sierpinski gasket is typically considered to be trivial because they percolate only at full bond density. By dressing up such lattices with small-world bonds, a novel…

无序系统与神经网络 · 物理学 2012-10-10 S. Boettcher , V. Singh , R. M. Ziff